s-Triazolo(5,1-a)isoquinoline, 5,6-dihydro-2-phenyl-
TL;DR: s-Triazolo(5,1-a)isoquinoline, 5,6-dihydro-2-phenyl- (CAS 5691-70-3) is a chemical compound with molecular formula C16H13N3 and molecular weight 247.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenyl-5,6-dihydro-[1,2,4]triazolo[5,1-a]isoquinoline
Also Known As: L 10499, 2-phenyl-5,6-dihydro[1,2,4]triazolo[5,1-a]isoquinoline, s-Triazolo(5,1-a)isoquinoline, 5,6-dihydro-2-phenyl-, 2-Phenyl-5,6-dihydro-s-triazolo(5,1-a)isoquinoline, 5,6-Dihydro-2-phenyl-s-triazolo[5,1-a]isoquinoline
| Molecular Formula | C16H13N3 |
|---|---|
| Molecular Weight | 247.11 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 247.11095 |
| Heavy Atoms | 19 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 5691-70-3 |
|---|---|
| SMILES | C1CN2C(=NC(=N2)C3=CC=CC=C3)C4=CC=CC=C41 |
| InChIKey | JYELTQXYQDVIIM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
s-Triazolo(5,1-a)isoquinoline, 5,6-dihydro-2-phenyl- (CAS 5691-70-3), with molecular formula C16H13N3 and molecular weight 247.11 g/mol. IUPAC: 2-phenyl-5,6-dihydro-[1,2,4]triazolo[5,1-a]isoquinoline.
Chemical Property Profile of s-Triazolo(5,1-a)isoquinoline, 5,6-dihydro-2-phenyl-
Property Insights of s-Triazolo(5,1-a)isoquinoline, 5,6-dihydro-2-phenyl-
The XLogP value of 3.3 indicates that s-Triazolo(5,1-a)isoquinoline, 5,6-dihydro-2-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.7 Ų, s-Triazolo(5,1-a)isoquinoline, 5,6-dihydro-2-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, s-Triazolo(5,1-a)isoquinoline, 5,6-dihydro-2-phenyl- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of s-Triazolo(5,1-a)isoquinoline, 5,6-dihydro-2-phenyl-?
The CAS number of s-Triazolo(5,1-a)isoquinoline, 5,6-dihydro-2-phenyl- is 5691-70-3.
What is the molecular formula of s-Triazolo(5,1-a)isoquinoline, 5,6-dihydro-2-phenyl-?
The molecular formula of s-Triazolo(5,1-a)isoquinoline, 5,6-dihydro-2-phenyl- is C16H13N3.
What is the molecular weight of s-Triazolo(5,1-a)isoquinoline, 5,6-dihydro-2-phenyl-?
The molecular weight of s-Triazolo(5,1-a)isoquinoline, 5,6-dihydro-2-phenyl- is 247.11 g/mol.
Where can I buy s-Triazolo(5,1-a)isoquinoline, 5,6-dihydro-2-phenyl-?
You can request a quote for s-Triazolo(5,1-a)isoquinoline, 5,6-dihydro-2-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for s-Triazolo(5,1-a)isoquinoline, 5,6-dihydro-2-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for s-Triazolo(5,1-a)isoquinoline, 5,6-dihydro-2-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.